Methyl-Hesperidin

Basic Information

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CAS Number

11013-97-1

Molecular Formula

C29H36O15

Molecular Weight

624.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

150-155°C

Boiling Point

316.82°C at 760 mmHg

Flash Point

293.0±27.8 °C

Solubility

Methanol; Water; DMSO

Refractive Index

1.5940 (estimate)

SMILES

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COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O

InChI

InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1

InChIKey

GUMSHIGGVOJLBP-SLRPQMTOSA-N

LogP

-0.8535999999999997

Topological Polar Surface Area

223.29 Å²

Hydrogen Bond Donor/Acceptor

7 / 15

Complexity

956

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

Methylhesperidine
VITAMIN P (WATER SOLUBLE)
3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-anosyl)oxy)-monomethyle
4h-1-benzopyran-4-one,7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyr
2-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-7-[3,4,5-TRIHYDROXY-6-[(3,4,5-TRIHYDROXY-6-METHYL-OXAN-2-YL)OXYMETHYL]OXAN-2-YL]OXY-CHROMAN-4-ONE
METHYL HESPERIDIN
5,7-Dihydroxy-3',4'-Dimethoxyflavanone 7-O-α-L-
(2S)-7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3,4-dimethoxyphenyl)-4H-1-benzopyran-4-one
Methyl Hesperdin
Methylated hesperidine
(S)-7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-3',4'-dimethoxyflavanone
(2S)-7-[[6-O-(α-L-Rhamnopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3,4-dimethoxyphenyl)-4H-1-benzopyran-4-one
METHYL HESPERIDINE
Methylhesperidin
K324U7386B
DSSTox_CID_841
DSSTox_RID_75821
DSSTox_GSID_20841
Methyl-Hesperidin
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, monomethyl ether, (2S)-
(2S)-2-[3,4-bis(methyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Tox21_
Vitamin P (Water soluble)
Methyl HES,Hesperidin, methyl-

MDL Number

MFCD01741310

FAQ

What is Methyl-Hesperidin (CAS: 11013-97-1)?

Methyl-Hesperidin (CAS: 11013-97-1) is a naturally occurring flavanone glycoside derivative of hesperidin, commonly found in citrus fruits. It has the chemical formula C22H28O14 and is known for its antioxidant and bioactive properties. This compound is often studied for its potential health benefits and is used in various scientific applications due to its structural similarity to other flavonoids.

What are the main uses of Methyl-Hesperidin (CAS: 11013-97-1)?

Methyl-Hesperidin (CAS: 11013-97-1) is primarily used in the pharmaceutical industry for its potential therapeutic effects, including anti-inflammatory and cardiovascular benefits. It is also applied in food science as a natural additive and in research for studying bioactive compounds. Its use in nutraceuticals and cosmetic products is growing due to its antioxidant properties.

Is Methyl-Hesperidin (CAS: 11013-97-1) safe?

Methyl-Hesperidin (CAS: 11013-97-1) is generally considered safe when used appropriately. It has low toxicity and is well-tolerated in most cases. However, proper handling and protective measures should be followed, especially during industrial or research use. Safety standards recommend avoiding ingestion in large quantities and ensuring appropriate storage to maintain stability and prevent degradation.

How should Methyl-Hesperidin (CAS: 11013-97-1) be stored?

Methyl-Hesperidin (CAS: 11013-97-1) should be stored in a cool, dry, and dark place to maintain its stability and prevent degradation. It is best kept in a tightly sealed container at a temperature below 25°C and away from moisture and direct light. Proper storage ensures the compound retains its chemical integrity and bioactivity over time.